COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.173  -0.301   8.516  1.00  0.00           O  
HETATM    2  C   UNL     1       0.987   0.188   7.187  1.00  0.00           C  
HETATM    3  O   UNL     1       2.209   0.757   6.713  1.00  0.00           O  
HETATM    4  C   UNL     1       0.572  -0.964   6.271  1.00  0.00           C  
HETATM    5  C   UNL     1       0.375  -0.447   4.870  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.868   0.004   4.470  1.00  0.00           C  
HETATM    7  C   UNL     1       1.437  -0.431   3.984  1.00  0.00           C  
HETATM    8  C   UNL     1       1.260   0.042   2.698  1.00  0.00           C  
HETATM    9 BR   UNL     1       2.713   0.063   1.488  1.00  0.00          Br  
HETATM   10  C   UNL     1       0.013   0.502   2.295  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.050   0.484   3.186  1.00  0.00           C  
HETATM   12 BR   UNL     1      -2.750   1.110   2.642  1.00  0.00          Br  
HETATM   13  O   UNL     1      -0.164   0.968   1.031  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.529  -0.095   0.268  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.788   0.076  -1.083  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.154  -1.005  -1.860  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.273  -2.262  -1.285  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.020  -2.433   0.067  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.649  -1.353   0.842  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.639  -3.326  -2.049  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.430  -0.819  -3.329  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.812  -0.512  -3.520  1.00  0.00           O  
HETATM   23  N   UNL     1      -0.608   0.282  -3.846  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.335  -0.019  -5.257  1.00  0.00           C  
HETATM   25  C   UNL     1       0.521   1.095  -5.861  1.00  0.00           C  
HETATM   26  C   UNL     1       0.801   0.785  -7.309  1.00  0.00           C  
HETATM   27  C   UNL     1       1.924   0.057  -7.656  1.00  0.00           C  
HETATM   28  C   UNL     1       2.178  -0.230  -8.984  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.061   1.233  -8.291  1.00  0.00           C  
HETATM   30  C   UNL     1       0.194   0.949  -9.619  1.00  0.00           C  
HETATM   31  C   UNL     1       1.315   0.216  -9.966  1.00  0.00           C  
HETATM   32  H   UNL     1       1.433   0.454   9.059  1.00  0.00           H  
HETATM   33  H   UNL     1       0.207   0.950   7.187  1.00  0.00           H  
HETATM   34  H   UNL     1       2.870   0.052   6.729  1.00  0.00           H  
HETATM   35  H   UNL     1       1.352  -1.726   6.271  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.359  -1.398   6.633  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.695  -0.009   5.163  1.00  0.00           H  
HETATM   38  H   UNL     1       2.407  -0.789   4.299  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.695   1.055  -1.530  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.114  -3.412   0.514  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.451  -1.486   1.895  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.604  -3.374  -2.018  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.184  -1.737  -3.864  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.987   0.303  -3.032  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.188   1.108  -3.833  1.00  0.00           H  
HETATM   46  H   UNL     1       0.197  -0.967  -5.330  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.276  -0.089  -5.802  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.011   2.043  -5.789  1.00  0.00           H  
HETATM   49  H   UNL     1       1.463   1.165  -5.316  1.00  0.00           H  
HETATM   50  H   UNL     1       2.599  -0.292  -6.888  1.00  0.00           H  
HETATM   51  H   UNL     1       3.053  -0.803  -9.254  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.937   1.805  -8.021  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.480   1.298 -10.387  1.00  0.00           H  
HETATM   54  H   UNL     1       1.515  -0.005 -11.003  1.00  0.00           H  
CONECT    1    2   32                                                 
CONECT    2    1    3    4   33                                       
CONECT    3    2   34                                                 
CONECT    4    2    5   35   36                                       
CONECT    5    4    6    7    7                                       
CONECT    6    5   11   11   37                                       
CONECT    7    5    5    8   38                                       
CONECT    8    7    9   10   10                                       
CONECT    9    8                                                      
CONECT   10    8    8   11   13                                       
CONECT   11    6    6   10   12                                       
CONECT   12   11                                                      
CONECT   13   10   14                                                 
CONECT   14   13   15   15   19                                       
CONECT   15   14   14   16   39                                       
CONECT   16   15   17   17   21                                       
CONECT   17   16   16   18   20                                       
CONECT   18   17   19   19   40                                       
CONECT   19   14   18   18   41                                       
CONECT   20   17   42                                                 
CONECT   21   16   22   23   43                                       
CONECT   22   21   44                                                 
CONECT   23   21   24   45                                            
CONECT   24   23   25   46   47                                       
CONECT   25   24   26   48   49                                       
CONECT   26   25   27   29   29                                       
CONECT   27   26   28   28   50                                       
CONECT   28   27   27   31   51                                       
CONECT   29   26   26   30   52                                       
CONECT   30   29   31   31   53                                       
CONECT   31   28   30   30   54                                       
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39   15                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
